Ag1CONBO FOpt UB3LYP LANL2DZ Number of atoms I 3 Charge I 0 Multiplicity I 2 Number of electrons I 33 Number of alpha electrons I 17 Number of beta electrons I 16 Number of basis functions I 40 Number of independant functions I 40 Number of point charges in /Mol/ I 0 Number of translation vectors I 0 Number of symbols in /Mol/ I 0 Info1-9 I N= 9 25 25 0 0 0 110 2 18 -501 Num ILSW I 100 ILSW I N= 100 1 0 0 0 2 0 0 0 0 0 402 200000 0 0 -1 0 0 0 0 800000 0 0 1 0 1 1 0 0 1000000 0 0 0 100000 0 -1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 720000 810000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Number of contracted shells I 18 Highest angular momentum I 2 Largest degree of contraction I 7 Number of primitive shells I 48 Pure/Cartesian d shells I 0 Pure/Cartesian f shells I 0 Virial Ratio R 2.554315565903648E+00 SCF Energy R -2.590448398926800E+02 Total Energy R -2.590448398926800E+02 S**2 R 7.534899943947444E-01 S**2 after annihilation R 7.500035861032940E-01 RMS Force R 9.945132591670920E-05 RMS Density R 8.144092788300667E-09 Atomic numbers I N= 3 47 6 8 Nuclear charges R N= 3 1.90000000E+01 6.00000000E+00 8.00000000E+00 Current cartesian coordinates R N= 9 -4.29356635E+00 2.42827928E+00 -2.03414781E+00 -2.83879952E+00 -1.66302421E-01 1.23448809E+00 -1.45002756E+00 -1.90506428E+00 1.21256676E+00 Atom Types C N= 3 Int Atom Types I N= 3 0 0 0 Force Field I 0 MM charges R N= 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 Integer atomic weights I N= 3 107 12 16 Real atomic weights R N= 3 1.06905090E+02 1.20000000E+01 1.59949146E+01 Atom residue info I N= 3 0 0 0 Atom fragment info I N= 3 0 0 0 Atom residue num I N= 3 0 0 0 Nuclear spins I N= 3 1 0 0 Nuclear ZEff R N= 3 -2.45340000E+02 -3.60000000E+00 -5.60000000E+00 Nuclear QMom R N= 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 Nuclear GFac R N= 3 -1.13570000E-01 0.00000000E+00 0.00000000E+00 MicOpt I N= 3 -1 -1 -1 Constraint Structure R N= 9 -4.15618996E+00 2.18640369E+00 -1.73883339E+00 -2.88831789E+00 -3.45366348E-02 9.38256584E-01 -1.53788558E+00 -1.79495448E+00 1.21348386E+00 ONIOM Charges I N= 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ONIOM Multiplicities I N= 16 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Atom Layers I N= 3 1 1 1 Atom Modifiers I N= 3 0 0 0 Atom Modified Types C N= 3 Int Atom Modified Types I N= 3 0 0 0 Link Atoms I N= 3 0 0 0 Atom Modified MM Charges R N= 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 Link Distances R N= 12 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 MxBond I 2 NBond I N= 3 1 2 1 IBond I N= 6 2 0 1 3 2 0 RBond R N= 6 2.00000000E+00 0.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 0.00000000E+00 Shell types I N= 18 0 0 0 1 1 1 -2 -2 0 0 0 1 1 0 0 0 1 1 Number of primitives per shell I N= 18 3 4 1 3 2 1 3 1 7 2 1 4 1 7 2 1 4 1 Shell to atom map I N= 18 1 1 1 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 Primitive exponents R N= 48 2.95000000E+00 2.14900000E+00 6.68400000E-01 2.95000000E+00 2.14900000E+00 6.68400000E-01 9.97000000E-02 3.47000000E-02 6.55300000E+00 1.56500000E+00 5.74800000E-01 9.08500000E-01 8.33000000E-02 2.52000000E-02 3.39100000E+00 1.59900000E+00 6.28200000E-01 2.10800000E-01 4.23300000E+03 6.34900000E+02 1.46100000E+02 4.25000000E+01 1.41900000E+01 5.14800000E+00 1.96700000E+00 5.14800000E+00 4.96200000E-01 1.53300000E-01 1.81600000E+01 3.98600000E+00 1.14300000E+00 3.59400000E-01 1.14600000E-01 7.81700000E+03 1.17600000E+03 2.73200000E+02 8.11700000E+01 2.71800000E+01 9.53200000E+00 3.41400000E+00 9.53200000E+00 9.39800000E-01 2.84600000E-01 3.51800000E+01 7.90400000E+00 2.30500000E+00 7.17100000E-01 2.13700000E-01 Contraction coefficients R N= 48 -1.79105558E+00 2.02445653E+00 6.07283758E-01 1.01411151E+00 -1.24139640E+00 -4.90142462E-01 1.11283746E+00 1.00000000E+00 -1.07911702E-01 7.40364515E-01 3.72100807E-01 -4.18371335E-02 1.00875981E+00 1.00000000E+00 1.39693793E-01 4.74442076E-01 5.15631074E-01 1.00000000E+00 1.21999969E-03 9.34199761E-03 4.54519884E-02 1.54656960E-01 3.58865908E-01 4.38631888E-01 1.45917963E-01 -1.68366956E-01 1.06009072E+00 1.00000000E+00 1.85389998E-02 1.15435999E-01 3.86187996E-01 6.40113993E-01 1.00000000E+00 1.17600033E-03 8.96800252E-03 4.28680121E-02 1.43930040E-01 3.55630100E-01 4.61248130E-01 1.40206039E-01 -1.54153074E-01 1.05691451E+00 1.00000000E+00 1.95800005E-02 1.24200003E-01 3.94714010E-01 6.27376016E-01 1.00000000E+00 Coordinates of each shell R N= 54 -4.29356635E+00 2.42827928E+00 -2.03414781E+00 -4.29356635E+00 2.42827928E+00 -2.03414781E+00 -4.29356635E+00 2.42827928E+00 -2.03414781E+00 -4.29356635E+00 2.42827928E+00 -2.03414781E+00 -4.29356635E+00 2.42827928E+00 -2.03414781E+00 -4.29356635E+00 2.42827928E+00 -2.03414781E+00 -4.29356635E+00 2.42827928E+00 -2.03414781E+00 -4.29356635E+00 2.42827928E+00 -2.03414781E+00 -2.83879952E+00 -1.66302421E-01 1.23448809E+00 -2.83879952E+00 -1.66302421E-01 1.23448809E+00 -2.83879952E+00 -1.66302421E-01 1.23448809E+00 -2.83879952E+00 -1.66302421E-01 1.23448809E+00 -2.83879952E+00 -1.66302421E-01 1.23448809E+00 -1.45002756E+00 -1.90506428E+00 1.21256676E+00 -1.45002756E+00 -1.90506428E+00 1.21256676E+00 -1.45002756E+00 -1.90506428E+00 1.21256676E+00 -1.45002756E+00 -1.90506428E+00 1.21256676E+00 -1.45002756E+00 -1.90506428E+00 1.21256676E+00 Alpha Orbital Energies R N= 40 -1.90187196E+01 -1.02418071E+01 -3.61722773E+00 -2.26168149E+00 -2.26141121E+00 -2.25995416E+00 -1.08342187E+00 -7.77614075E-01 -5.09132295E-01 -4.95340680E-01 -4.70081421E-01 -3.51642545E-01 -3.50103757E-01 -3.49616492E-01 -3.49609826E-01 -3.40869693E-01 -1.96929328E-01 -3.85703514E-02 4.70163305E-02 9.38745199E-02 1.74166180E-01 2.24567167E-01 4.52176517E-01 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 Beta Orbital Energies R N= 40 -1.90164714E+01 -1.02380736E+01 -3.61596901E+00 -2.26087226E+00 -2.26052516E+00 -2.25955810E+00 -1.01853049E+00 -7.72298127E-01 -6.33701207E-01 -4.81983839E-01 -4.67472302E-01 -3.48281489E-01 -3.47598003E-01 -3.47013849E-01 -3.45799819E-01 -3.45783887E-01 -5.33455934E-02 -3.34483287E-02 1.11952333E-01 1.35532465E-01 2.53417499E-01 4.26083801E-01 4.79197379E-01 9.69051095E-02 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 Alpha MO coefficients R N= 1600 -8.65579765E-04 -5.91850386E-04 -2.75842847E-04 -1.08027683E-04 2.20159741E-04 -3.59758981E-04 6.64751893E-04 -6.08783346E-04 -9.61945561E-04 1.15745691E-04 -1.06291348E-04 -1.66254567E-04 -8.30925254E-04 1.44964887E-04 5.03818225E-05 -1.12684278E-04 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-5.51215873E-03 7.12949662E-03 -8.82464702E-04 1.48763145E-03 2.37968411E-04 1.26758442E-04 9.66174776E-04 4.23680798E-03 4.41356281E-04 7.06013932E-05 3.76071873E-05 2.86648488E-04 1.25699266E-03 1.64424780E-02 3.35188519E-01 9.02230315E-01 1.67613049E-01 -2.40097495E-01 1.26086497E-01 1.66727232E-01 -3.01973730E-01 3.94196154E-01 1.41291083E-02 4.59657188E-01 -1.35587599E+00 -2.85932371E-01 2.05692369E-01 6.52777538E-01 8.55823593E-01 -8.12576667E-01 -1.11563598E+00 5.61139020E-01 9.00171699E-01 4.14714080E-01 4.10584184E-02 -7.17473076E-02 8.59531055E-02 3.56370553E-01 -6.32799314E-01 7.88733667E-01 6.18133216E-02 -1.09763330E-01 1.36819535E-01 6.33741101E-02 9.20054765E-02 -1.61167624E-01 -4.41379210E-02 -7.22752398E-02 1.88020773E-02 2.72965423E-02 -4.78158371E-02 -1.30950100E-02 -2.14428990E-02 -3.11980799E-02 1.29636457E+00 -2.59633184E+00 -2.93893195E-01 4.47648033E-01 -3.34795023E-01 5.00524824E-01 -9.52594910E-01 1.38003961E+00 -1.93105925E-03 5.03453090E-02 1.40706833E-01 -3.62653626E-02 4.98463438E-02 -1.83474045E-02 -1.66260883E-01 2.92365665E-01 -3.55954152E-01 7.75717351E-02 8.05811266E-02 3.72989050E-02 2.14584866E-03 -4.73072859E-03 8.66839586E-03 -7.76309403E-02 6.13310258E-02 1.53912069E-01 -1.34918762E-02 1.06663131E-02 2.67181601E-02 5.52436461E-02 -1.97161432E-02 1.05077092E-02 1.10535999E-02 3.47220861E-02 1.63898996E-02 -5.84946200E-03 3.11746802E-03 3.27942497E-03 1.03014835E-02 9.53125337E-04 1.80294820E-01 1.47960914E+00 3.15316062E-01 -3.93680017E-01 -9.67453226E-03 6.84786316E-01 -8.47316246E-01 -5.36200659E-02 -7.97955763E-02 1.84288213E+00 -3.47962078E+00 2.48484986E-01 -2.95718931E-01 -6.94986045E-02 2.64824231E-01 -3.55964566E-01 9.98153679E-02 Total SCF Density R N= 820 1.98442208E+00 7.71512891E-03 4.17309720E-01 2.26990475E-02 2.15844788E-01 1.20660400E-01 2.00202626E-04 -6.34936451E-03 -1.13853856E-03 1.99648509E+00 -6.30754903E-04 8.33191469E-03 4.65689853E-04 -1.41019527E-03 1.99838615E+00 1.61431599E-03 -1.53016317E-03 4.11327157E-03 1.93398980E-03 -3.79198256E-03 2.00152933E+00 -4.84918174E-03 -2.96163187E-03 -4.38274802E-03 1.11624567E-02 2.15163604E-03 -3.32914892E-03 1.88210234E-03 9.15709312E-03 1.38841686E-02 1.23170002E-02 1.95564226E-03 8.20267188E-03 6.77044668E-03 -3.57898546E-03 8.03121248E-03 -1.30626019E-02 -4.32770568E-02 -2.90081167E-02 -2.49794773E-03 5.72812356E-03 1.22330877E-03 6.10910656E-03 -1.43127518E-02 2.84470902E-02 7.19055446E-04 -5.28138654E-03 -2.20302635E-03 -2.62399613E-03 8.43252531E-05 -3.95234408E-04 3.24520808E-04 -9.21707917E-04 2.22432109E-03 5.27314056E-04 -1.25518314E-03 1.01354171E-02 4.53345852E-03 -8.12886142E-06 -2.78551900E-03 7.05439358E-04 -6.15736807E-04 1.73804342E-03 -4.07828483E-03 -5.99098952E-04 1.20233902E-03 1.50045125E-03 -1.49171629E-02 -7.52368274E-03 -1.34027557E-06 2.10621492E-04 -3.52033577E-03 9.22180521E-04 -2.44348060E-03 5.47856253E-03 6.78040148E-04 -1.16264128E-03 1.50227027E-03 -2.47152928E-03 -2.83319633E-02 -1.84349222E-02 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-1.43773577E-03 1.94415020E-03 -3.52315236E-03 5.71917519E-05 1.41672828E-03 -1.79366680E-04 -8.20477229E-04 -9.83686139E-04 -4.67422711E-04 3.61799677E-04 -2.55633143E-04 -5.99472307E-05 -3.66135978E-03 8.69264248E-03 1.66680575E-02 -6.95002358E-03 6.98727994E-03 2.05980517E-02 -2.00959104E-03 -4.46870159E-04 1.28312531E-02 4.49047937E-04 -1.35963700E-03 -1.56586246E-03 4.88066052E-03 7.27363114E-04 1.51045772E-02 8.73585247E-03 -3.42628569E-04 2.82867318E-04 4.19118265E-05 3.37169825E-04 3.43660976E-04 -8.49676187E-04 -3.78659751E-04 3.99399574E-04 -6.16441212E-04 1.25596578E-03 -7.77954317E-04 9.30319111E-04 3.33265914E-04 1.18699876E-03 7.02549424E-04 -2.91855307E-04 -3.18415974E-04 -1.74232150E-04 4.24244390E-04 1.08933070E-03 -3.12485684E-03 -4.43010441E-03 4.98627443E-03 -7.04305842E-04 -1.31537296E-02 1.26625424E-03 -1.16588410E-04 -6.12648446E-03 -1.31643270E-05 3.39948860E-05 -5.48385632E-04 -2.77053142E-03 -4.47055750E-04 9.63658579E-03 1.32813172E-01 7.63688171E-02 5.19131640E-04 -2.49543710E-03 7.71125339E-03 -5.93397232E-03 1.50024054E-02 -3.15781497E-02 -2.56484251E-03 5.04539834E-03 -7.98950863E-03 1.37867052E-02 3.78931253E-03 -1.06684567E-02 -1.76134348E-03 -5.43928434E-04 1.46628089E-03 1.06657546E-03 -2.18531154E-03 -5.12712962E-04 -4.09313847E-04 1.49360724E-02 -3.31676273E-02 -7.02459346E-02 2.91175779E-02 -2.38518471E-02 -5.16506311E-02 5.53625277E-03 3.03368661E-03 -4.24799392E-02 -2.34470118E-03 7.12451350E-03 1.07057340E-02 -2.12812334E-02 1.11528637E-02 6.49821028E-02 -1.47723654E-03 -2.12112004E-02 -1.20503067E-02 5.89971496E-05 1.31870221E-04 -9.15376569E-04 8.82338292E-04 -1.73862714E-03 4.21525022E-03 3.02468473E-04 -7.81034910E-04 1.08959508E-03 -2.03482725E-03 9.55127704E-05 1.26252754E-03 1.88180060E-04 -4.73193625E-04 -4.34559999E-04 -1.99991604E-04 1.68927534E-04 -1.01540500E-04 -5.46158346E-05 -2.18227787E-03 5.21782294E-03 9.56499299E-03 -4.07771579E-03 2.85246645E-03 1.03183537E-02 -1.02628729E-03 -4.33229451E-04 6.77142969E-03 4.24741260E-04 -1.00530699E-03 -1.90985677E-03 9.65182102E-04 -1.47311028E-03 -9.32402796E-03 2.93707573E-04 1.67646233E-04 3.75190321E-03 2.14426633E-03 -1.58419351E-04 2.22490249E-04 -1.31148178E-04 1.89339990E-04 4.89519805E-05 -1.54644998E-06 -8.98466473E-05 2.01720841E-05 -9.81110553E-05 4.05592121E-04 2.66317146E-05 3.95224055E-04 2.45388948E-04 3.30042484E-04 2.19417934E-04 -1.20485098E-04 -9.97625919E-05 -6.42319860E-05 1.64720048E-04 1.32056237E-04 -5.71081383E-04 -2.69962218E-04 2.76257875E-04 4.89998389E-04 -3.03588383E-03 2.64115454E-04 -1.25789865E-04 -1.32252652E-03 -1.94415245E-04 2.82068080E-04 5.60021602E-04 -5.88956355E-04 -1.80041064E-03 2.50184915E-03 -5.69174429E-04 -1.05741260E-03 7.18356824E-03 9.74233259E-02 5.52929238E-02 3.20453275E-04 -1.68298280E-03 5.44479793E-03 -3.99251598E-03 1.03055294E-02 -2.22424665E-02 -1.85319301E-03 3.59708292E-03 -5.52288722E-03 9.99295401E-03 2.04161698E-03 -6.56125293E-03 -8.51933013E-04 3.52125511E-04 1.06542547E-03 5.06689620E-04 -1.13165330E-03 -2.01192464E-04 1.61026496E-05 1.11046971E-02 -2.54642369E-02 -4.99860929E-02 2.12864661E-02 -1.68085046E-02 -4.21139815E-02 3.80196307E-03 2.40614755E-03 -3.06752217E-02 -1.44300116E-03 4.17371278E-03 7.82603325E-03 -1.30889057E-02 7.22936106E-03 3.72443785E-02 -6.38698479E-03 1.77866989E-03 2.52192987E-02 Cartesian Gradient R N= 9 -4.45489378E-06 2.55296192E-05 -8.49736320E-06 -1.36926925E-04 1.43059106E-04 2.17030986E-05 1.41381819E-04 -1.68588725E-04 -1.32057353E-05 Dipole Moment R N= 3 -1.78989777E-01 2.21109655E-01 1.56108315E-02 Anisotropic Hyperfine tensors R N= 18 1.50060183E-02 -4.50807246E-03 1.36345034E-02 -2.60064700E-03 1.25545440E-02 -2.86405217E-02 -3.03695581E-02 -3.27071878E-02 -6.23751999E-02 -1.17152074E-01 1.06926060E-01 9.27447580E-02 -1.65271201E-01 -3.32885720E-02 -2.08454551E-01 -1.90116069E-01 9.75487659E-02 3.73725752E-01 Isotropic Hyperfine splittings R N= 3 1.77197234E-04 1.39731881E-01 2.33231683E-02 QEq coupling tensors R N= 18 -2.25310553E-02 -9.19074175E-03 -9.95888728E-03 1.03316374E-02 -2.71365904E-02 3.24899426E-02 -4.15225066E-03 -4.81666739E-01 2.01157655E-01 -5.61252131E-02 2.32106416E-02 -1.97005405E-01 -1.41535544E-01 -1.96638429E-01 -5.44479393E-02 -6.46731123E-02 -3.76937090E-02 1.95983483E-01 Mulliken Charges R N= 3 3.96663805E-02 5.01800144E-02 -8.98463949E-02 NPA Charges R N= 3 1.32325886E-01 3.27020818E-01 -4.59346703E-01 Optimization MaxStp I 100 Optimization Job offset I 0 Optimization Num results per geometry I 2 Optimization Num geometry variables I 9 Opt point 1 Results for each geome R N= 20 6.01347002-154 6.01347002-154 -2.59040673E+02 0.00000000E+00 -2.59044332E+02 0.00000000E+00 -2.59044595E+02 0.00000000E+00 -2.59044730E+02 0.00000000E+00 -2.59044795E+02 0.00000000E+00 -2.59044829E+02 0.00000000E+00 -2.59044838E+02 0.00000000E+00 -2.59044840E+02 0.00000000E+00 -2.59044840E+02 0.00000000E+00 Opt point 1 Geometries R N= 90 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -4.21407045E+00 2.28119173E+00 -1.83294297E+00 -2.86238317E+00 -8.14710168E-02 9.99421546E-01 -1.50593981E+00 -1.84280814E+00 1.24642848E+00 -4.32263933E+00 2.45897202E+00 -2.00939324E+00 -2.81331526E+00 -1.69879201E-01 1.11348138E+00 -1.44643885E+00 -1.93218024E+00 1.30881891E+00 -4.32330150E+00 2.46349491E+00 -2.02510805E+00 -2.81275523E+00 -1.77990091E-01 1.14501680E+00 -1.44633672E+00 -1.92859225E+00 1.29299830E+00 -4.31867819E+00 2.46101635E+00 -2.03927166E+00 -2.81782687E+00 -1.81131978E-01 1.18550425E+00 -1.44588838E+00 -1.92297179E+00 1.26667446E+00 -4.31074308E+00 2.45245261E+00 -2.04523405E+00 -2.82536741E+00 -1.78981021E-01 1.21665745E+00 -1.44628296E+00 -1.91655901E+00 1.24148364E+00 -4.30109946E+00 2.44017318E+00 -2.04451145E+00 -2.83362307E+00 -1.73624734E-01 1.23798800E+00 -1.44767091E+00 -1.90963587E+00 1.21943050E+00 -4.29610975E+00 2.43281843E+00 -2.03987517E+00 -2.83743629E+00 -1.69366453E-01 1.24024460E+00 -1.44884739E+00 -1.90653941E+00 1.21253762E+00 -4.29396266E+00 2.42915564E+00 -2.03576001E+00 -2.83875272E+00 -1.66918794E-01 1.23686187E+00 -1.44967806E+00 -1.90532427E+00 1.21180519E+00 -4.29356635E+00 2.42827928E+00 -2.03414781E+00 -2.83879952E+00 -1.66302421E-01 1.23448809E+00 -1.45002756E+00 -1.90506428E+00 1.21256676E+00 Opt point 1 Gradient at each geome R N= 90 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.60057555E-03 -1.20606244E-02 1.59155072E-02 -8.83453382E-03 1.54483982E-02 -1.83957278E-02 2.23395827E-03 -3.38777380E-03 2.48022058E-03 -5.79340529E-04 4.47105773E-04 1.24748420E-03 -7.74143176E-03 1.09254768E-02 -5.18270772E-03 8.32077229E-03 -1.13725825E-02 3.93522352E-03 -5.56630842E-04 5.65662120E-04 7.11021873E-04 -6.21253299E-04 1.43630744E-03 -2.94303401E-03 1.17788414E-03 -2.00196956E-03 2.23201214E-03 -4.57295743E-04 5.74207417E-04 1.72320624E-04 3.36098557E-03 -3.96410901E-03 -1.27401469E-03 -2.90368982E-03 3.38990160E-03 1.10169406E-03 -3.18838334E-04 4.68529921E-04 -1.43598121E-04 3.59662967E-03 -4.46097205E-03 -3.97872907E-04 -3.27779134E-03 3.99244213E-03 5.41471028E-04 -1.51279580E-04 2.76398430E-04 -2.60128277E-04 1.97945326E-03 -2.55310647E-03 1.59057658E-04 -1.82817368E-03 2.27670804E-03 1.01070619E-04 -6.04570454E-05 1.37904375E-04 -1.75389604E-04 5.35022064E-04 -7.49146448E-04 2.17406526E-04 -4.74565019E-04 6.11242073E-04 -4.20169219E-05 -1.61437223E-05 5.33565351E-05 -6.20620120E-05 -1.21456205E-04 1.03851003E-04 1.03663478E-04 1.37599927E-04 -1.57207538E-04 -4.16014656E-05 -4.45489378E-06 2.55296192E-05 -8.49736320E-06 -1.36926925E-04 1.43059106E-04 2.17030986E-05 1.41381819E-04 -1.68588725E-04 -1.32057353E-05 Optimization Number of geometries I N= 1 10